(3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) 4-nitrobenzoate

Systemtic Name: (3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) 4-nitrobenzoate Openeye Name: (3,5,5-trimethyl-8-methylene-1,2,4,6,7,8a-hexahydroazulen-6-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3,5,5-trimethyl-8-methylene-1,2,4,6,7,8a-hexahydroazulen-6-yl) ester IUPAC Name: (3,5,5-trimethyl-8-methylidene-1,2,4,6,7,8a-hexahydroazulen-6-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3,5,5-trimethyl-8-methylene-1,2,4,6,7,8a-hexahydroazulen-6-yl) ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C(CC(=C)C2CC1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=C2CC(C(CC(=C)C2CC1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C

InChI

InChI=1S/C21H25NO4/c1-13-5-10-17-14(2)11-19(21(3,4)12-18(13)17)26-20(23)15-6-8-16(9-7-15)22(24)25/h6-9,17,19H,2,5,10-12H2,1,3-4H3